SCHEMBL31662564

SCHEMBL31662564

Cn1ncc2cc(C(N)=O)cc(Oc3ccc(OCCCN4CCN(C(=O)OC(C)(C)C)C(=O)C4)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 4/20 0.39
HRH1 P35367 4/20 0.39
CHEK2 O96017 4/20 0.35
HTR3A P46098 2/20 0.35
SCN9A Q15858 1/20 0.34
EPHX2 P34913 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
IKBKB O14920 2/20 0.34
OPRM1 P35372 3/20 0.33
OPRD1 P41143 3/20 0.33
OPRK1 P41145 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31661967 0.87 PRKAB2 (0.41) HRH2HRH1CHEK2HTR3ASCN9A
SCHEMBL31661968 0.83 HRH3 (0.44) HRH2HRH1CHEK2HTR3ASCN9A
SCHEMBL31662175 0.80 HRH3 (0.47) EPHX2HRH3OPRM1OPRD1OPRK1
SCHEMBL31662052 0.79 SCN9A (0.38) CHEK2HTR3ASCN9AHRH3IKBKB
SCHEMBL31662592 0.79 CHEK2 (0.48) CHEK2
SCHEMBL31662025 0.79 PRKAB2 (0.37) CHEK2HTR3ASCN9AHRH3OPRM1
SCHEMBL31662190 0.78 SMN1; SMN2 (0.42) CHEK2HTR3ASCN9A
SCHEMBL31662002 0.78 SCN9A (0.37) HRH2HRH1CHEK2HTR3ASCN9A
SCHEMBL31662377 0.77 SCN9A (0.43) CHEK2SCN9AHRH3
SCHEMBL31662062 0.76 CCNC (0.47) SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed